(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one

C7H11NO — CID 95734093

IUPAC(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC1(C)[C@@H]2CNC(=O)[C@@H]21
InChIInChI=1S/C7H11NO/c1-7(2)4-3-8-6(9)5(4)7/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
InChIKeyNOEANOXILSYOIN-RFZPGFLSSA-N
MW125.17 g/mol
LogP0.39
Rot. Bonds

About (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one

(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 95734093) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID95734093
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC1(C)[C@@H]2CNC(=O)[C@@H]21
InChIInChI=1S/C7H11NO/c1-7(2)4-3-8-6(9)5(4)7/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
InChIKeyNOEANOXILSYOIN-RFZPGFLSSA-N
XLogP0.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one (CID 95734093) is (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one is CC1(C)[C@@H]2CNC(=O)[C@@H]21.
What is the InChIKey of (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is NOEANOXILSYOIN-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(2)4-3-8-6(9)5(4)7/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5-/m1/s1.
What are the key properties of (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 95734093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).